Details of the Drug

General Information of Drug (ID: DMJHXMY)

Drug Name
1-benzyl-APDC
Synonyms
CHEMBL60238; 171336-76-8; (2R,4R)-1-BENZYL-4-AMINO-PYRROLIDINE-2,4-DIcarboxylic acid; GTPL1436; SCHEMBL8061968; CTK0A8043; DTXSID60573467; ZINC39952128; BDBM50071161; DB-064818; AJ-101168; FT-0772028; 4-amino-1-(phenylmethyl)pyrrolidine-2,4-dicarboxylic acid; (2R,4R)-4-amino-1-benzylpyrrolidine-2,4-dicarboxylic acid; (2R,4R)-4-Amino-1-benzyl-pyrrolidine-2,4-dicarboxylic acid; (2R)-1-Benzyl-4-aminopyrrolidine-2beta,4alpha-dicarboxylic acid; 4-Amino-1-benzyl-pyrrolidine-2,4-dicarboxylic acid(1-benzyl-APDC)
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 264.28
Topological Polar Surface Area (xlogp) -4.5
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C13H16N2O4
IUPAC Name
(2R,4R)-4-amino-1-benzylpyrrolidine-2,4-dicarboxylic acid
Canonical SMILES
C1[C@@H](N(C[C@]1(C(=O)O)N)CC2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C13H16N2O4/c14-13(12(18)19)6-10(11(16)17)15(8-13)7-9-4-2-1-3-5-9/h1-5,10H,6-8,14H2,(H,16,17)(H,18,19)/t10-,13-/m1/s1
InChIKey
LYCSUAGKQMUTBR-ZWNOBZJWSA-N
Cross-matching ID
PubChem CID
15508178
CAS Number
171336-76-8
TTD ID
D0N0NJ

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Metabotropic glutamate receptor 6 (mGluR6) TTWRP2F GRM6_HUMAN Agonist [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 1436).
2 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Target id: 294).
3 Cloning, distribution and functional expression of the human mGlu6 metabotropic glutamate receptor. Neuropharmacology. 1997 Feb;36(2):145-52.
4 Comparative effect of L-CCG-I, DCG-IV and gamma-carboxy-L-glutamate on all cloned metabotropic glutamate receptor subtypes. Neuropharmacology. 1998 Aug;37(8):1043-51.
5 The metabotropic glutamate receptors: structure, activation mechanism and pharmacology. Curr Drug Targets CNS Neurol Disord. 2002 Jun;1(3):297-317.
6 Binding of [3H](2S,1'S,2'S)-2-(9-xanthylmethyl)-2-(2'-carboxycyclopropyl) glycine ([3H]LY341495) to cell membranes expressing recombinant human group III metabotropic glutamate receptor subtypes. Naunyn Schmiedebergs Arch Pharmacol. 2000 Dec;362(6):546-54.
7 The mGlu(4) receptor allosteric modulator N-phenyl-7-(hydroxyimino)cyclopropa[b]chromen-1a-carboxamide acts as a direct agonist at mGlu(6) receptors. Eur J Pharmacol. 2008 Jul 28;589(1-3):49-52.
8 A novel selective metabotropic glutamate receptor 4 agonist reveals new possibilities for developing subtype selective ligands with therapeutic potential. FASEB J. 2012 Apr;26(4):1682-93.